2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine

C11H18N2O2S2 — CID 28706336

IUPAC2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine
SMILESNCC[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O2S2/c12-7-6-10-4-1-2-8-13(10)17(14,15)11-5-3-9-16-11/h3,5,9-10H,1-2,4,6-8,12H2/t10-/m1/s1
InChIKeyCTDKNRUFDGPBSC-SNVBAGLBSA-N
MW274.41 g/mol
LogP1.64
Rot. Bonds4

About 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine

2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine (PubChem CID 28706336) has the molecular formula C11H18N2O2S2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine
PubChem CID28706336
Molecular FormulaC11H18N2O2S2
Molecular Weight274.41 g/mol
Exact Mass274.08
IUPAC Name2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine
SMILESNCC[C@H]1CCCCN1S(=O)(=O)c1cccs1
InChIInChI=1S/C11H18N2O2S2/c12-7-6-10-4-1-2-8-13(10)17(14,15)11-5-3-9-16-11/h3,5,9-10H,1-2,4,6-8,12H2/t10-/m1/s1
InChIKeyCTDKNRUFDGPBSC-SNVBAGLBSA-N
XLogP1.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine?
The IUPAC name of 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine (CID 28706336) is 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine.
What is the SMILES notation for 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine?
The canonical SMILES for 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine is NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1.
What is the InChIKey of 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine?
The InChIKey is CTDKNRUFDGPBSC-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H18N2O2S2/c12-7-6-10-4-1-2-8-13(10)17(14,15)11-5-3-9-16-11/h3,5,9-10H,1-2,4,6-8,12H2/t10-/m1/s1.
What are the key properties of 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine?
2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine has a molecular weight of 274.41 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-thiophen-2-ylsulfonylpiperidin-2-yl]ethanamine is sourced from PubChem (CID 28706336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).